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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

A Simulated Geochemical Rover Mission to the Taurus-Littrow Valley of the Moon

We test the effectiveness of using an alpha backscatter, alpha-proton, X ray spectrometer on a remotely operated rover to analyze soils and provide geologically useful information about the Moon during a simulated mission to a hypothetical site resembling the Apollo 17 landing site. On the mission, 100 soil samples are "analyzed" for major elements at moderate analytical precision (e.g., typical relative sample standard deviation from counting statistics: Si[11%], Al[18%], Fe[6%], Mg[20%], Ca[5%]). Simulated compositions of soils are generated by combining compositions of components representing the major lithologies occurring at the site in known proportions. Simulated analyses are generated by degrading the simulated compositions according to the expected analytical precision of the analyzer. Compositions obtained from the simulated analyses are modeled by least squares mass balance as mixtures of the components, and the relative proportions of those components as predicted by the model are compared with the actual proportions used to generate the simulated composition. Boundary conditions of the modeling exercise are that all important lithologic components of the regolith are known and are represented by model components, and that the compositions of these components are well known. The effect of having the capability of determining one incompatible element at moderate precision (25%) is compared with the effect of the lack of this capability. We discuss likely limitations and ambiguities that would be encountered, but conclude that much of our knowledge about the Apollo 17 site (based on the return samples) regarding the distribution and relative abundances of lithologies in the regolith could be obtained. This success requires, however, that at least one incompatible element be determined.

Korotev, Randy L.↗
DOE OSTI2026

United States Nuclear Power Reactor Used Nuclear Fuel Database and Applications

The Unified Database (UDB) within STANDARDS serves as the foundational data infrastructure for managing the United States' spent nuclear fuel inventory of 315,111 discharged assemblies totaling 91,036 metric tons of heavy metal. The database organizes this complex inventory through over 200 interconnected tables structured into eight primary attribute categories, supporting integrated analyses across storage, transportation, and disposal domains. Data enters the UDB through the GC-859 Nuclear Fuel Data Survey, which transitioned to web-based collection in 2023, improving data quality through real-time validation. The UDB enables automated generation of input files for nuclear safety analyses, reducing preparation time from weeks to hours while maintaining traceability. Applications include national inventory reporting, Certificate of Compliance assessments, and facility optimization. The three-tier distribution model balances accessibility with security requirements for federal agencies, national laboratories, and research organizations. The UDB provides essential data infrastructure as spent fuel management transitions from site-specific to integrated national campaigns.

Stefanovic, Peter↗
NASA NTRS1985

Testing an Energy Balance Model for Estimating Actual Evapotranspiration Using Remotely Sensed Data

An energy-balance model is used to estimate daily evapotranspiration for 3 days for a barley field and a wheat field near Hannover, Federal Republic of Germany. The model was calibrated using once-daily estimates of surface temperatures, which may be remotely sensed. The evaporation estimates were within the 95% error bounds of independent eddy correlation estimates for the daytime periods for all three days for both sites, but the energy-balance estimates are generally higher; it is unclear which estimate is biassed. Soil moisture in the top 2 cm of soil, which may be remotely sensed, may be used to improve these evaporation estimates under partial ground cover. Sensitivity studies indicate the amount of ground data required is not excessive.

Gurney, R. J.↗
NASA NTRS1992

Ocean interactions with the base of Amery Ice Shelf, Antarctica

Using a two-dimensional ocean themohaline circulation model, we varied the cavity shape beneath Amery Ice Shelf in an attempt to reproduce the 150-m-thick marine ice layer observed at the 'G1' ice core site. Most simulations caused melting rates which decrease the ice thickness by as much as 400 m between grounding line and G1, but produce only minor accumulation at the ice core site and closer to the ice front. Changes in the sea floor and ice topographies revealed a high sensitivity of the basal mass balance to water column thickness near the grounding line, to submarine sills, and to discontinuities in ice thickness. Model results showed temperature/salinity gradients similar to observations from beneath other ice shelves where ice is melting into seawater. Modeled outflow characteristics at the ice front are in general agreement with oceanographic data from Prydz Bay. We concur with Morgan's inference that the G1 core may have been taken in a basal crevasse filled with marine ice. This ice is formed from water cooled by ocean/ice shelf interactions along the interior ice shelf base.

Hellmer, Hartmut H.↗
DOE OSTI2025

Improving leaf spring phenology modelling for temperate tree species: An integration of the Farquhar–Medlyn photosynthesis model with the optimality‐based approach

Spring leaf phenology in temperate tree species is highly sensitive to climate change and significantly affects plant photosynthetic performance, resource utilization, competition and trophic interactions, thereby impacting various ecosystem functions. Although optimality-based (OPT) approaches for modelling spring phenology are increasingly recognized, the optimal representation of the underlying principle (balancing photosynthesis gains with chilling risks) remains controversial. Here, we integrated a coupled Farquhar–Medlyn photosynthesis model into an existing OPT model, and termed the resulting model R-OPT, and evaluated its performance using the PEP725 dataset, which includes 409,144 site-species-year records from across Europe. Our results show that R-OPT outperforms both the default OPT and non-optimality-based models (e.g. the chilling-forcing trade-off and growing degree day models). This improved performance is consistent within and across five focal tree species but varies by region: R-OPT excels in lowland, moist environments but is less effective in high-altitude, cold, and dry areas, possibly due to an incomplete representation of environmental constraints on photosynthetic carbon gain in these regions. Our research advances leaf spring phenology modelling by emphasizing an optimality principle that balances photosynthetic carbon gain with chilling risk, improving the representation of plant photosynthesis processes and enhancing understanding of environmental factors influencing phenology in the context of climate change.

coupled Farquhar–Medlyn photosynthesis model↗
DOE OSTI2026

Synthesis, Structure, and Properties of the Complex Zintl Phase Eu 9 Zn 4.5 As 9 : A Candidate Topological Insulator and Thermoelectric Material

Reported are the synthesis and detailed analysis of the crystal and electronic structure of the novel Zintl phase Eu 9 Zn 4.5 As 9 . This material was identified in the densely populated Eu–Zn–As compositional space. For structure determination and for property measurements, suitable single crystals of this compound were grown from either Sn- or Pb-flux. Single-crystal X-ray diffraction methods indicate that Eu 9 Zn 4.5 As 9 crystallizes in the orthorhombic crystal system with the space group Pnma (a = 12.1953(7) Å, b = 4.3730(2) Å, c = 42.674(2) Å) and is formally isostructural to Ca 9 Mn 4+x Sb 9 , the less common “9–4–9” type. The structure is heavily disordered, with multiple partially occupied sites, yet, according to the Zintl-Klemm formalism, a charge-balanced composition (Eu 2+ ) 9 (Zn 2+ ) 4.5 (As 3− ) 9 is attained. Electronic structure calculations for a model, disorder-free structure indicate no energy gap between the valence and the conduction bands and suggest (semi)metallic behavior. Preliminary susceptibility measurements confirm the expected divalent nature of Eu 2+ ([Xe] 4 f 7 ground state).

Zintl phases↗
DOE OSTI2025

Combining Eddy Covariance Towers, Field Measurements, and the MEMS 2 Ecosystem Model Improves Confidence in the Climate Impacts of Bioenergy With Carbon Capture and Storage

ABSTRACT Carbon dioxide removal technologies such as bioenergy with carbon capture and storage (BECCS) are required if the effects of climate change are to be reversed over the next century. However, BECCS demands extensive land use change that may create positive or negative radiative forcing impacts upstream of the BECCS facility through changes to in situ greenhouse gas fluxes and land surface albedo. When quantifying these upstream climate impacts, even at a single site, different methods can give different estimates. Here we show how three common methods for estimating the net ecosystem carbon balance of bioenergy crops established on former grassland or former cropland can differ in their central estimates and uncertainty. We place these net ecosystem carbon balance forcings in the context of associated radiative forcings from changes to soil N 2 O and CH 4 fluxes, land surface albedo, embedded fossil fuel use, and geologically stored carbon. Results from long term eddy covariance measurements, a soil and plant carbon inventory, and the MEMS 2 process‐based ecosystem model all agree that establishing perennials such as switchgrass or mixed prairie on former cropland resulted in net negative radiative forcing (i.e., global cooling) of −26.5 to −39.6 fW m −2 over 100 years. Establishing these perennials on former grassland sites had similar climate mitigation impacts of −19.3 to −42.5 fW m −2 . However, the largest climate mitigation came from establishing corn for BECCS on former cropland or grassland, with radiative forcings from −38.4 to −50.5 fW m −2 , due to its higher plant productivity and therefore more geologically stored carbon. Our results highlight the strengths and limitations of each method for quantifying the field scale climate impacts of BECCS and show that utilizing multiple methods can increase confidence in the final radiative forcing estimates.

Falvo, Grant [Department of Plant, Soil and Microb↗
DOE OSTI2024

Revealing the role of redox reaction selectivity and mass transfer in current–voltage predictions for ensembles of photocatalysts

Photocatalysts are conceptually simple reaction units where nanoscale semiconductors integrated with catalysts drive a pair of redox reactions on illumination. However, the proximity of reaction sites performing cathodic and anodic reactions poses dire challenges to realize large light-to-fuel conversion efficiencies. In this study, a powerful, yet straightforward, equivalent-circuit detail-balance modeling framework is developed and applied to evaluate the performance of photocatalytic systems featuring multiple light absorbers. Specifically, low bandgap iridium-doped strontium titanate is modeled as a Z-scheme photocatalyst to achieve desirable hydrogen evolution and iron-based redox shuttle oxidation reactions. Our model has unique capabilities to simulate competing redox reactions and address mass-transfer limitations. In a significant departure from state-of-the-art circuit models, our study develops tools to perform load-line analyses by incorporating a net electrochemical load curve that includes both desired and competing redox reactions. Consequently, reaction selectivity is predicted from equivalent circuit models for photocatalytic and photoelectrochemical systems. Our investigation into ensembles comprised of multiple, semi-transparent light absorbers reveals their potential to outperform a single, optically thick light absorber, particularly when operated under mass-transfer-limited conditions. However, this outcome hinges on minimizing mass-transfer rates of select redox species to prevent undesired reactions of hydrogen oxidation and/or redox shuttle reduction. Our findings demonstrate that reaction selectivity can be achieved by tuning asymmetry in redox species mass-transfer even with perfectly symmetric electrocatalytic charge-transfer coefficients. The influences of various kinetic, mass-transfer, and thermodynamic parameters are explored to offer crucial insights for synthesis of the next-generation of photocatalysts and selective coatings, and reactor designs.

25 ENERGY STORAGE↗
NASA NTRS1985

Analysis/forecast experiments with a multivariate statistical analysis scheme using FGGE data

A three-dimensional, multivariate, statistical analysis method, optimal interpolation (OI) is described for modeling meteorological data from widely dispersed sites. The model was developed to analyze FGGE data at the NASA-Goddard Laboratory of Atmospherics. The model features a multivariate surface analysis over the oceans, including maintenance of the Ekman balance and a geographically dependent correlation function. Preliminary comparisons are made between the OI model and similar schemes employed at the European Center for Medium Range Weather Forecasts and the National Meteorological Center. The OI scheme is used to provide input to a GCM, and model error correlations are calculated for forecasts of 500 mb vertical water mixing ratios and the wind profiles. Comparisons are made between the predictions and measured data. The model is shown to be as accurate as a successive corrections model out to 4.5 days.

Baker, W. E.↗
NASA NTRS1991

COSP - A computer model of cyclic oxidation

A computer model useful in predicting the cyclic oxidation behavior of alloys is presented. The model considers the oxygen uptake due to scale formation during the heating cycle and the loss of oxide due to spalling during the cooling cycle. The balance between scale formation and scale loss is modeled and used to predict weight change and metal loss kinetics. A simple uniform spalling model is compared to a more complex random spall site model. In nearly all cases, the simpler uniform spall model gave predictions as accurate as the more complex model. The model has been applied to several nickel-base alloys which, depending upon composition, form Al2O3 or Cr2O3 during oxidation. The model has been validated by several experimental approaches. Versions of the model that run on a personal computer are available.

Lowell, Carl E.↗
DOE OSTI2025

Evaluating ecosystem water use efficiency and recovery dynamics during flash droughts: insights from observations and model simulations

Flash droughts (FD), rapidly emerging in a warming future, disrupt ecosystems, agriculture, and water security. Ecosystem water use efficiency (WUE), the ratio of gross primary production (GPP) to actual evapotranspiration (AET), balances carbon assimilation and water loss. FD rapidly disrupts this balance, making WUE critical for assessing plant stress and recovery. Here, this study investigates the dynamics of landscape-scale WUE, and the components of GPP and AET under FD utilizing both observed data from the Missouri Ozark AmeriFlux site (US-MOz) and version 2 of the U.S. Department of Energy’s Earth, Energy, Exascale System Model (E3SM) Land Model (ELMv2). Observations and simulations reveal GPP as dominant for WUE during earlier FD events (2005, 2007, 2012), shifting to AET in recent events (2014, 2018). This agreement indicates that the ELM can capture the shifting dynamics of GPP and AET in regulating WUE under FD conditions. However, the ELM systematically underestimates both GPP and AET and does so in a manner that does not preserve their ratio. As a result, WUE is also underestimated, suggesting that GPP is more strongly underestimated than AET. Furthermore, the ELM also underestimates the speed of GPP recovery, producing an artificially prolonged GPP recovery time following FD events. Observed environmental drivers such as vapor pressure deficit (VPD), soil moisture (SM), and predawn leaf water potential (PLWP) effectively predict WUE, but ELM primarily highlights SM, underestimating VPD’s role. This study demonstrates that relying solely on soil moisture fails to capture the rapid hydraulic recovery observed in PLWP, underscoring the necessity of integrating plant hydraulics into land surface models to improve flash drought predictability.

Evapotranspiration↗
NASA NTRS2001

Worldwide Historical Estimates of Leaf Area Index, 1932-2000

Approximately 1000 published estimates of leaf area index (LAI) from nearly 400 unique field sites, covering the period 1932-2000, have been compiled into a single data set. LA1 is a key parameter for global and regional models of biosphere/atmosphere exchange of carbon dioxide, water vapor, and other materials. It also plays an integral role in determining the energy balance of the land surface. This data set provides a benchmark of typical values and ranges of LA1 for a variety of biomes and land cover types, in support of model development and validation of satellite-derived remote sensing estimates of LA1 and other vegetation parameters. The LA1 data are linked to a bibliography of over 300 originalsource references.This report documents the development of this data set, its contents, and its availability on the Internet from the Oak Ridge National Laboratory Distributed Active Archive Center for Biogeochemical Dynamics. Caution is advised in using these data, which were collected using a wide range of methodologies and assumptions that may not allow comparisons among sites.

Scurlock, J. M. O.↗
DOE OSTI2024

Ion-specific phenomena limit energy recovery in forward-biased bipolar membranes

The ability for bipolar membranes (BPMs) to interconvert voltage and pH makes them attractive materials for use in energy conversion and storage. Reverse-biased BPMs, which use electrical voltage to dissociate water into acid and base, have become increasingly well studied. However, forward-biased BPMs (FB-BPMs), in which voltage is extracted from pH gradients through recombination, require further study. Here physics-based modeling elucidates how the complex coupling of transport and kinetics dictates the performance of FB-BPMs in electrochemical devices. Simulations reveal that the open-circuit potential of FB-BPMs is dictated by the balance of ion recombination and crossover, where recombination of buffering counter-ions attenuates the open-circuit potential. Counter-ion mass-transport limitations and uptake of ionic impurities limit achievable current densities by reducing the applied pH gradient or the available fixed-charge sites that mediate recombination. Further, the model highlights the importance of selective ion management in mitigating energy losses and provides insight into the rational material design of FB-BPMs for energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Data, model inputs, and analysis scripts associated with a manuscript on stream intermittency controls across spatial scales in Pacific Northwest watersheds

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript "Hydroclimatic Memory and Watershed Template Shape Stream Intermittency: Multi-scale Attribution Using Process-based Simulation and Explainable ML" by Niroula et al. (2026), submitted to Water Resources Research (WRR). The study investigates the dominant controls on stream intermittency across local, reach, and watershed scales using a coupled process-based simulation and explainable machine-learning framework. Long-term daily simulations from the Advanced Terrestrial Simulator (ATS) were used to generate wetness states and ponded-depth responses over river-corridor cells. These ATS outputs were then aggregated across scales and used to train XGBoost (eXtreme Gradient Boosting) models. SHAP (SHapley Additive exPlanations) was applied to quantify the relative importance of hydroclimatic forcings, watershed template attributes, and antecedent-memory effects in shaping intermittency behavior. The analysis is carried out for three contrasting Pacific Northwest watersheds: Oak Creek (OCW), American River Watershed (ARW), and H.J. Andrews (HJA). Across these testbeds, the package contains ATS-ready watershed inputs, ATS run configuration and selected output files, model-evaluation data products, intermittency-analysis datasets, machine-learning target-feature tables, SHAP outputs, and notebooks used to organize, analyze, and visualize results. At a high level, the package documents a workflow in which ATS provides the physically based simulation backbone and explainable machine learning is used as a post-processing attribution tool. The contents are intended to support interpretation of the manuscript figures and results, provide context for how intermittency metrics were generated at multiple scales, and preserve the key artifacts needed to understand and reuse the analysis workflow. The package contains a high-level directory summary file (`summary.txt`) and four main content folders (1) `evaluation_plots` contains evaluation figures and supporting evaluation datasets; (2) `intermittency_plots` contains intermittency-focused analysis notebook and prepared datasets; (3) `ml-training-and-shap_values_plots` contains ML training inputs, SHAP outputs, and figure-generation notebooks; and (4) `watershed_mesh_and_ats_input` contains ATS model setup materials, forcing inputs, geometry, and selected run files. More specifically, the `evaluation_plots` folder contains the notebook used for ATS evaluation plotting and site-specific evaluation datasets. These include evapotranspiration and water-balance products for three watersheds, as well as an Oak Creek field-measurement discharge file. The `intermittency_plots` folder contains the notebook used for intermittency analysis and the prepared datasets used to analyze intermittent and non-intermittent wetness behavior across the study watersheds. The `ml-training-and-shap_values_plots` folder contains notebooks and outputs for the machine-learning and explainability workflow. This includes the main XGBoost and SHAP notebook(s), a beeswarm plotting notebook, target-feature tables for machine-learning training, SHAP summary tables, and per-sample SHAP value archives. The `watershed_mesh_and_ats_input` folder contains ATS-related watershed inputs and supporting materials. This includes mesh and shape products, ATS-readable LAI and meteorological forcing inputs, selected ATS spinup and transient-run files, and a watershed workflow example notebook. Subdirectories are organized by watershed where applicable.All files are .cpg (codepage files), .csv (comma-separated values), .dbf (database files), .exo (Exodus mesh format), .h5 (HDF5 format), .ipynb (Jupyter notebooks), .pkl (Python pickle), .prj (projection files), .sh (shell scripts), .shp (shapefile geometry), .shx (shapefile index), .txt (text files), or .xml (markup data).

Advanced Terrestrial Simulator↗
NASA NTRS1986

Composition and stability of the condensate observed at the Viking Lander 2 site on Mars

Surface energy balance and near-surface temperature data from the Viking Lander 2 site taken during the first winter that condensated were observed and analyzed to determine the relative stability of CO2 and H2O frosts. The CO2 frost stability is calculated with an equilibrium surface energy balance model, i.e., the total energy incident on a frost surface is compared with the blackbody energy emitted by the surface. The energy sources considered were IR emission from the atmosphere, sunlight, and the sensible heat flux from the atmosphere. H2O stability was examined as a function of buoyant diffusion and turbulent mixing processes which could remove saturated near-surface gases. The CO2 frost is found to be sufficiently unstable at the time the condensate was observed on the ground, so all CO2 ice deposited at night would boil away in a few hours of sunlight. CO2 ice would not form during a dust storm. Water frost would be stable during the condensate observations, since sublimation would occur at a rate below 1 micron/day. A stable winter thickness of 10 microns is projected for the water ice.

Hart, H. M.↗
NASA NTRS1994

Stability of the Martian atmosphere: Is heterogeneous catalysis essential?

A comprehensive homogeneous gas phase photochemical model is developed to study the problem of stability of the Martian atmosphere. The one-dimensional model extends from the ground up to 220 km, passing through the homopause at 125 km. The model thus couples the lower (neutral) atmosphere to the ionosphere above which provides significant downward flux of carbon monoxide and oxygen atoms. It is concluded on the basic of currently accepted values for globally and seasonally averaged water vapor abundance, dust opacity and the middle atmospheric eddy mixing coefficient, as well as the relevant laboratory data (particularly the temperature dependence of CO2 absorption cross section and the rate constant for CO+OH reaction), that the rate of re-formation of carbon dioxide exceeds its photolytic destruction rate by about 40%. Furthermore, it is found that this result is virtually independent of the choice of eddy mixing coefficient, unless its value in the middle atmosphere exceeds 10(exp 8) sq cm/sec or is far smaller than 10(exp 5)sq cm/sec, or the dust opacity, unless it exceeds unity, or the water vapor mixing ratio at the surface, unless it is far smaller (less than or = 1 ppm) or far greater (greater than or = 500 ppm) than the average value (approximately 150 ppm). Since none of these extremes represent globally and seasonally averaged conditions on Mars, we propose that the present model requires existence of a mechanism to throttle down the recycling rate of carbon dioxide on Mars. Therefore, it is suggested that a heterogeneous process which provides a sink to the species that participate in the recycling of CO2, i.e., H2O, H2O2, OH, CO or O, in particular, may be necessary to bring about the balance between the CO2 recycling rate and its photolytic destruction rate. Aerosols of dust or ice (pure or doped water or carbon dioxide ice present in the atmosphere of Mars) can provide the appropriate adsorption sites for the above heterogeneous process. Despite our conclusion that some heterogeneous process may be needed, it is important to recognize that one-dimensional models can only provide first-order results which, most likely, represent globally and seasonally averaged conditions. However, it is only after actual temporal, latitudinal and longitudinal variations of relevant atmospheric parameters are included in the model that one can determine fuly whether the problem of atmospheric stabiltiy still continues to persist and whether some heterogeneous process is required to correct it.

Atreya, Sushil K.↗
DOE OSTI2025

Data and code for: Combining eddy covariance towers, field measurements, and the MEMS 2 ecosystem model improves confidence in the climate impacts of bioenergy with carbon capture and storage

BECCS demands extensive land use change that may create positive or negative radiative forcing impacts upstream of the BECCS facility through changes to in situ greenhouse gas fluxes and land surface albedo. When quantifying these upstream climate impacts, even at a single site, different methods can give different estimates. Here we show how three common methods for estimating the net ecosystem carbon balance of bioenergy crops established on former grassland or former cropland can differ in their central estimates and uncertainty.

BECCS↗
DOE OSTI2026

Deposition Height Prediction in Directed Energy Deposition

Using 316L stainless steel as a model material, reduced-order models are developed to predict capture efficiency, deposition height, and site-specific hardness in directed energy deposition. Capture efficiency is predicted over a 15 to 55 pct range using a dimensionless number derived from processing conditions and thermophysical properties. Deposition height is predicted over a 0.3 to 1.3 mm range without in situ sensing or prior training data, using two models based on the same mass and energy-balance principles. Predictions are compared with machine learning approaches. A quantitative relationship links deposition height, primary dendrite arm spacing (PDAS), and hardness: heights of 0.3 to 1.1 mm correspond to PDAS values of 2.7 to 5.1 µm and Vickers hardness (HV) of 160 to 219. Thinner layers cool more rapidly, producing finer microstructures and higher hardness. Samples fabricated with in situ variations in deposition height exhibited up to 55 HV differences between thick and thin regions, demonstrating that local control of deposition height enables predictive, site-specific hardness within a single build. These results establish deposition height prediction as a pathway for a priori process design and property control in directed energy deposition for 316L stainless steel.

Kunkel, William [Univ. of Wisconsin, Madison, WI (↗